84I
Summary
| Name: | methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate |
| Formula: | C16 H16 Cl N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 385.886 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16ClNO4S2/c1-22-16(19)12-9-15(24(18,20)21)14(10-13(12)17)23-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,18,20,21) |
| InChIKey | InChI | 1.06 | KICJCRSMGGMWMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cc(c(SCCc2ccccc2)cc1Cl)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1cc(c(SCCc2ccccc2)cc1Cl)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(c(cc1Cl)SCCc2ccccc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(c(cc1Cl)SCCc2ccccc2)S(=O)(=O)N |
